Thanks for this suggestion. I tried rawfile.exe from the XDK examples. It does export the data from the ECD, but there are a few issues:
1. I'd like to call it from a batch script or from XCalibur to automatically extract the data from the raw files without user intervention. I don't know if/how this can be done. 2. The time values of the data exported to the ASCII file are truncated. They contain only two digits 'after the comma'. This results in a time resolution of about 0.6 seconds, which is not enough because there are about three data points per second in my data files. I do not know how to change this because I do not know VisualBasic. Matthias On Apr 17, 8:00 pm, DD <[email protected]> wrote: > Maybe give XChroDisplay in XDK. You could also call rawfile.exe in > XDK which allows exporting of analog data. We did do this at one time > (for LC data) so will ask group how. We stopped when we started using > Promass (again for LC data) which also pulls this data. > > On Apr 16, 11:49 am, brennmat <[email protected]> wrote: > > > Dear all > > > I am an absolute newbie and I am not sure if I came to the right > > place... well, here's my question: > > > I am looking for a tool that extracts chromatogram data from XCalibur > > *.raw files and converts them into a format that is readable by other > > software (e.g. Matlab or Octave). My *.raw files contain data from a > > GC/MS system which has both an MS and an ECD (electron capture > > detector; note that the data from the ECD does not contain massess, > > only signal intensity as a function of time). > > > I can think of two ways to achieve this: > > > 1. There is already a tool available that does what I need. This might > > be a converter that converts the XCalibur *.raw into a file that is > > readable by Matlab or Octave. Remember that I not only need the MS > > data, but also the ECD data which does not have any mass information. > > Otherwise I could use XCalibur/xconvert or ReAdW, which export to ANDI > > or mzXML. Is there a converter which also processes 'massless' > > chromatograms? > > > 2. I might try to write some code in C/C++ that does what I need. This > > might be either a standalone program or a MEX or OCT binary that runs > > from within Matlab or Octave. In both cases I'd need some help to get > > me started on how to use the XCalibur DLL stuff in C/C++. I have never > > worked with C/C++ on Microsoft Windows and I've got no clue how to > > work with DLLs. Any pointers or code examples would be greatly > > appreciated. > > > I'd be very grateful for any hints, comments and suggestions. > > > Thanks > > Matthias --~--~---------~--~----~------------~-------~--~----~ You received this message because you are subscribed to the Google Groups "spctools-discuss" group. To post to this group, send email to [email protected] To unsubscribe from this group, send email to [email protected] For more options, visit this group at http://groups.google.com/group/spctools-discuss?hl=en -~----------~----~----~----~------~----~------~--~---
